Exchange-Correlation Energy Densities and Response Potentials: Connection between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond

[Image: see text] We analyze in depth two widely used definitions (from the theory of conditional probability amplitudes and from the adiabatic connection formalism) of the exchange-correlation energy density and of the response potential of Kohn–Sham density functional theory. We introduce a local...

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Detalles Bibliográficos
Autores principales: Giarrusso, Sara, Gori-Giorgi, Paola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7104238/
https://www.ncbi.nlm.nih.gov/pubmed/32118422
http://dx.doi.org/10.1021/acs.jpca.9b10538

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7104238/
https://www.ncbi.nlm.nih.gov/pubmed/32118422
http://dx.doi.org/10.1021/acs.jpca.9b10538

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